Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1043448

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1043448
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Mg', 'Ni', 'P', 'O']
  • Chemical System: Mg-Ni-O-P
  • Density: 3.8102725979233583
  • Atomic Density: 0.09207329470344969
  • Unit Cell Volume: 477.8801512611828
  • Molar Volume: 6.54059440296576
  • Full Formula: Mg2 Ni6 P8 O28
  • Reduced Formula: MgNi3(P2O7)2
  • Formula Anonymous: AB3C4D14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -324.07477713000003
  • Final energy per atom: -7.365335843863637
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.